N-[1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-1-ium-4-yl]benzenesulfonamide

Systemtic Name: N-[1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-1-ium-4-yl]benzenesulfonamide Openeye Name: N-[1-[2-(4-bromophenyl)-2-oxo-ethyl]-1,2,4-triazol-1-ium-4-yl]benzenesulfonamide CAS Name: N-[1-[2-(4-bromophenyl)-2-oxoethyl]-1,2,4-triazol-1-ium-4-yl]benzenesulfonamide IUPAC Name: N-[1-[2-(4-bromophenyl)-2-oxoethyl]-1,2,4-triazol-1-ium-4-yl]benzenesulfonamide Traditional Name: N-[1-[2-(4-bromophenyl)-2-keto-ethyl]-1,2,4-triazol-1-ium-4-yl]benzenesulfonamide Formula: C16H14BrN4O3S+ MolecularWeight: 422.27636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NN2C=N[N+](=C2)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NN2C=N[N+](=C2)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN4O3S/c17-14-8-6-13(7-9-14)16(22)10-20-12-21(11-18-20)19-25(23,24)15-4-2-1-3-5-15/h1-9,11-12,19H,10H2/q+1